SCHEMBL19476552

SCHEMBL19476552

COCCCC1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 6/20 0.39
CHRNB4 P30926 5/20 0.39
HRH3 Q9Y5N1 2/20 0.37
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 2/20 0.34
FDPS P14324 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20028359 1.00 CHRNA3 (0.39) CHRNA3CHRNB4HRH3CHRNB2CHRNA4
SCHEMBL20028808 1.00 CHRNA3 (0.39) CHRNA3CHRNB4HRH3CHRNB2CHRNA4
SCHEMBL12213043 0.94 HRH3 (0.43) CHRNA3CHRNB4HRH3FDPS
SCHEMBL10103537 0.88
SCHEMBL3349213 0.82 FDPS (0.42) CHRNA3CHRNB4HRH3FDPS
SCHEMBL14043157 0.82 FDPS (0.42) CHRNA3CHRNB4HRH3FDPS
SCHEMBL593996 0.81 CHRNA3 (0.37) CHRNA3CHRNB4HRH3CHRNB2CHRNA4
SCHEMBL593510 0.81 CHRNA3 (0.37) CHRNA3CHRNB4HRH3CHRNB2CHRNA4
SCHEMBL6978705 0.80 CYP2D6 (0.44) CHRNA3CHRNB4HRH3FDPS
Hydrochloric Acid SCHEMBL3347358 0.80 KMT2A (0.41) CHRNA3CHRNB4HRH3FDPS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
WO-2019074809-A1 INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
WO-2017181177-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme, Inc. (US) 2017-10-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 CHRNA3 3998/4885CHRNB4 3911/4885HRH3 2154/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 CHRNA3 2784/4885CHRNB4 3427/4885HRH3 1076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.